Chemical Properties of O-nitro carbanilic acid, isopulegol ester (CAS 98074-68-1)

O-nitro carbanilic acid, isopulegol ester

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InChI
InChI=1S/C17H22N2O4/c1-11(2)13-9-8-12(3)10-16(13)23-17(20)18-14-6-4-5-7-15(14)19(21)22/h4-7,12-13,16H,1,8-10H2,2-3H3,(H,18,20)
InChI Key
MMHUSMJEBKAWJI-UHFFFAOYSA-N
Formula
C17H22N2O4
SMILES
C=C(C)C1CCC(C)CC1OC(=O)Nc1ccccc1[N+](=O)[O-]
Molecular Weight1
318.37
CAS
98074-68-1
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Physical Properties

Property Value Unit Source
Δf 174.38 kJ/mol Joback Calculated Property
Δfgas -241.96 kJ/mol Joback Calculated Property
Δfus 44.07 kJ/mol Joback Calculated Property
Δvap 87.78 kJ/mol Joback Calculated Property
log10WS -5.53 Crippen Calculated Property
logPoct/wat 4.524 Crippen Calculated Property
McVol 246.310 ml/mol McGowan Calculated Property
Pc 1928.74 kPa Joback Calculated Property
Tboil 905.09 K Joback Calculated Property
Tc 1151.40 K Joback Calculated Property
Tfus 571.90 K Joback Calculated Property
Vc 0.933 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [803.25; 868.70] J/mol×K [905.09; 1151.40] Show Hide
Cp,gas 803.25 J/mol×K 905.09 Joback Calculated Property
Cp,gas 818.08 J/mol×K 946.14 Joback Calculated Property
Cp,gas 831.27 J/mol×K 987.19 Joback Calculated Property
Cp,gas 842.88 J/mol×K 1028.25 Joback Calculated Property
Cp,gas 852.94 J/mol×K 1069.30 Joback Calculated Property
Cp,gas 861.53 J/mol×K 1110.35 Joback Calculated Property
Cp,gas 868.70 J/mol×K 1151.40 Joback Calculated Property

Similar Compounds

O-nitro carbanilic acid, 4-terpinenol ester. O-nitro carbanilic acid, carveol ester. O-nitro carbanilic acid, l-menthyl ester. Nalmefene, bis(trifluoroacetate). Methyldihydromorphine. Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, (5«alpha»,6«alpha»)-. Hydrocodone. Acetyldihydrocodeine. 5,6-Dihydrouracil riboside, TMS. Moexipril Me. Moexipril desethyl 3Me (Moexprilate 3Me). N-Desmethylmirtazapine. Dihydromorphine. Dihydromorphinone acetate. Hydromorphone.

Find more compounds similar to O-nitro carbanilic acid, isopulegol ester.

Sources

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